CID 99587

(methylamino)methanesulfonic acid

Structural Information

Molecular Formula
C2H7NO3S
SMILES
CNCS(=O)(=O)O
InChI
InChI=1S/C2H7NO3S/c1-3-2-7(4,5)6/h3H,2H2,1H3,(H,4,5,6)
InChIKey
RVPUETSFKVWTTO-UHFFFAOYSA-N
Compound name
methylaminomethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

125.01466 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.02194 122.8
[M+Na]+ 148.00388 130.8
[M+NH4]+ 143.04848 129.6
[M+K]+ 163.97782 126.1
[M-H]- 124.00738 120.6
[M+Na-2H]- 145.98933 125.1
[M]+ 125.01411 123.4
[M]- 125.01521 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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